Geometry & MOs

Info

ID:	439658
PubChem CID:	135229445
Reduced:	NOH37C57 (1)
Stoich.:	ABC37D57 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	206.83
Dipole, Da:	0.81
IP(EA), eV:	-8.18(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21

DOS

IR

Vibrations